N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide

C9H21N3O4S2 — CID 119989090

IUPACN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)N1CCCC1CN
InChIInChI=1S/C9H21N3O4S2/c1-2-17(13,14)11-5-7-18(15,16)12-6-3-4-9(12)8-10/h9,11H,2-8,10H2,1H3
InChIKeyHCPQRKKMBQJKGH-UHFFFAOYSA-N
MW299.42 g/mol
LogP-1.32
Rot. Bonds7

About N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide (PubChem CID 119989090) has the molecular formula C9H21N3O4S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide
PubChem CID119989090
Molecular FormulaC9H21N3O4S2
Molecular Weight299.42 g/mol
Exact Mass299.10
IUPAC NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)N1CCCC1CN
InChIInChI=1S/C9H21N3O4S2/c1-2-17(13,14)11-5-7-18(15,16)12-6-3-4-9(12)8-10/h9,11H,2-8,10H2,1H3
InChIKeyHCPQRKKMBQJKGH-UHFFFAOYSA-N
XLogP-1.32
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide
CID 119989094
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride
CID 119989093
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969134
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
CID 64591583
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
CID 63767722
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480106
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide (CID 119989090) is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide is CCS(=O)(=O)NCCS(=O)(=O)N1CCCC1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide?
The InChIKey is HCPQRKKMBQJKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S2/c1-2-17(13,14)11-5-7-18(15,16)12-6-3-4-9(12)8-10/h9,11H,2-8,10H2,1H3.
What are the key properties of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide?
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide has a molecular weight of 299.42 g/mol, XLogP of -1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide is sourced from PubChem (CID 119989090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).